CID 24752963

950666-26-9

Structural Information

Molecular Formula
C17H21ClN4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=CC=CC=C32)Cl
InChI
InChI=1S/C17H21ClN4O2/c1-17(2,3)24-16(23)22-10-8-21(9-11-22)14-12-6-4-5-7-13(12)19-15(18)20-14/h4-7H,8-11H2,1-3H3
InChIKey
ZBSOMMYUMAVBCI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-chloroquinazolin-4-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

348.1353 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14258 184.5
[M+Na]+ 371.12452 191.8
[M-H]- 347.12802 185.8
[M+NH4]+ 366.16912 193.8
[M+K]+ 387.09846 186.3
[M+H-H2O]+ 331.13256 173.8
[M+HCOO]- 393.13350 190.9
[M+CH3COO]- 407.14915 210.4
[M+Na-2H]- 369.10997 188.0
[M]+ 348.13475 184.8
[M]- 348.13585 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe